8BY3

FimH lectin domain in complex with oligomannose-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97630
Spacegroup name	P 61 2 2
Unit cell lengths	153.110, 153.110, 230.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	114.925 - 3.186
Rwork	0.204
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.561
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.925	3.341
High resolution limit [Å]	3.186	3.186
Rmerge	0.613	1.767
Rmeas	0.643	1.838
Rpim	0.188
Number of reflections	24701	1209
<I/σ(I)>	4.977	1.6
Completeness [%]	88.5	34.1
Redundancy	11.07	13.067
CC(1/2)	0.952	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	1 M Lithium sulphate 100 mM Tris-HCl, pH 8.5 10 mM Nickel chloride 3% glycerol